(3,5‐dimethyl‐1H‐pyrazol‐1‐yl)(4‐methoxyphenyl)methanone | 54019-07-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (3,5‐dimethyl‐1H‐pyrazol‐1‐yl)(4‐methoxyphenyl)methanone
• 英文别名: {3,5-(dimethylpyrazol-1-yl)-4-methoxy-1-carbonyl}benzene；1-(4-methoxy-benzoyl)-3,5-dimethyl-1H-pyrazole；(3,5-dimethyl-1H-pyrazol-1-yl)(4-methoxyphenyl)methanone；(3,5-dimethylpyrazol-1-yl)-(4-methoxyphenyl)methanone
• CAS: 54019-07-7
• 化学式: C₁₃H₁₄N₂O₂
• 分子量: 230.266
• InChiKey: GBKXJGMLDPJSEI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  44.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  、 (3,5‐dimethyl‐1H‐pyrazol‐1‐yl)(4‐methoxyphenyl)methanone 以 二氯甲烷 为溶剂， 反应 24.0h， 以53%的产率得到
  参考文献：
  名称：

  (Pyrazol-1-yl)carbonyl palladium complexes as catalysts for ethylene polymerization reaction

  摘要：

  Reactions of two equivalents of {3,5-(dimethylpyrazol-1-yl)-4-methoxy-1-carbonyl}benzene (L1), {3,5-(dimethylpyrazol-1-yl)-4-ethoxy-1-carbonyl}benzene (L2), {3,5-(dimethylpyrazol-1-yl)-4-hexyloxy-1-carbonyl}benzene (L3), and {3,5-(dimethylpyrazol-1-yl)-4-dodecycloxy-1-carbonyl}benzene (L4) with one equivalent of [Pd(NCMe)(2)Cl-2] produced the corresponding monometallic complexes, [Pd(L1)(2)Cl-2) (1), [Pd(L2)(2)Cl-2) (2), [Pd(L3)(2)Cl-2) (3) and [Pd(L4)(2)Cl-2) (4) in good yields. Solid state structures of 2 and 4 confirmed the monodentate character of L1-L4 and trans configuration of the palladium complexes. Activation of 1-4, and the furanyl and thiophenyl carbonyl pyrazolyl palladium complexes: [Pd((Me)pzCOfn)(2)Cl-2] (5), [Pd((Me)pzCOth)(2)Cl-2] (6), [Pd((tBu)pzCOfn)(2)Cl-2] (7) and [Pd((tBu)pzCOfn)(2)Cl-2] (8) (fn = furan, th = thiophene) with MAO produced catalysts for the polymerization of ethylene with moderate activities; forming linear high density polyethylene. The structure of the complexes had a significant effect on both the activity of the catalysts and nature of the polymers obtained. (C) 2012 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2012.10.036
• 作为产物：
  描述：

  3,5-二甲基吡唑 、 对甲氧基苯甲酰氯 在 三乙胺 作用下， 以 甲苯 为溶剂， 反应 24.0h， 以78%的产率得到(3,5‐dimethyl‐1H‐pyrazol‐1‐yl)(4‐methoxyphenyl)methanone
  参考文献：
  名称：

  (Pyrazol-1-yl)carbonyl palladium complexes as catalysts for ethylene polymerization reaction

  摘要：

  Reactions of two equivalents of {3,5-(dimethylpyrazol-1-yl)-4-methoxy-1-carbonyl}benzene (L1), {3,5-(dimethylpyrazol-1-yl)-4-ethoxy-1-carbonyl}benzene (L2), {3,5-(dimethylpyrazol-1-yl)-4-hexyloxy-1-carbonyl}benzene (L3), and {3,5-(dimethylpyrazol-1-yl)-4-dodecycloxy-1-carbonyl}benzene (L4) with one equivalent of [Pd(NCMe)(2)Cl-2] produced the corresponding monometallic complexes, [Pd(L1)(2)Cl-2) (1), [Pd(L2)(2)Cl-2) (2), [Pd(L3)(2)Cl-2) (3) and [Pd(L4)(2)Cl-2) (4) in good yields. Solid state structures of 2 and 4 confirmed the monodentate character of L1-L4 and trans configuration of the palladium complexes. Activation of 1-4, and the furanyl and thiophenyl carbonyl pyrazolyl palladium complexes: [Pd((Me)pzCOfn)(2)Cl-2] (5), [Pd((Me)pzCOth)(2)Cl-2] (6), [Pd((tBu)pzCOfn)(2)Cl-2] (7) and [Pd((tBu)pzCOfn)(2)Cl-2] (8) (fn = furan, th = thiophene) with MAO produced catalysts for the polymerization of ethylene with moderate activities; forming linear high density polyethylene. The structure of the complexes had a significant effect on both the activity of the catalysts and nature of the polymers obtained. (C) 2012 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2012.10.036

文献信息

• Cu_1.5 PMo₁₂ O₄₀ -catalyzed condensation cyclization for the synthesis of substituted pyrazoles
  作者：Guo-Ping Yang、Xing He、Bing Yu、Chang-Wen Hu

  DOI：10.1002/aoc.4532

  日期：2018.11

  A convenient and direct approach has been developed for the preparation of pyrazole derivatives by the condensation cyclization of hydrazines/hydrazide and 1,3‐diketones in the presence of Cu1.5PMo12O40 (0.33 mol%) under mild conditions (r.t.‐60 °C, 10–30 min). Notably, the reaction was found to be scalable as 99% yield was obtained when the reaction was performed at a 5‐mmol scale. This solvent‐free

  在温和的条件下（rt-60），在Cu 1.5 PMo 12 O 40（0.33 mol％）存在下，通过肼/酰肼和1,3-二酮的缩合环化反应，已经开发了一种方便直接的方法来制备吡唑衍生物。°C，10–30分钟）。值得注意的是，当反应在5 mmol规模下进行时，发现该反应可扩展，产率为99％。这种无溶剂和无卤素的催化体系代表了吡唑的一种有效的经济和环保方法。
• Structural characterization of benzoyl-1H-pyrazole derivatives obtained in lemon juice medium: Experimental and theoretical approach
  作者：Vesna Milovanović、Zorica D. Petrović、Slađana Novaković、Goran A. Bogdanović、Dušica Simijonović、Vladimir P. Petrović

  DOI：10.1016/j.molstruc.2019.05.095

  日期：2019.11

  Abstract Simple, one-pot, and low-cost reactions of acetylacetone with a variety of substituted benzoyl hydrazides in lemon juice, as eco-friendly medium, were performed. In reactions of benzoyl hydrazides with electron-donating groups on phenyl ring, the 1-benzoyl-1H-pyrazole derivatives were obtained in short reaction time, and in good to high yields. On the other hand, benzoyl hydrazides with electron-withdrawing

  摘要 作为环保介质，在柠檬汁中进行了乙酰丙酮与多种取代苯甲酰肼的简单、一锅法和低成本反应。在苯环上带有给电子基团的苯甲酰肼反应中，1-苯甲酰-1H-吡唑衍生物反应时间短，产率高。另一方面，具有吸电子基团的苯甲酰肼反应较慢，产生 1-苯甲酰-5-羟基-4,5-二氢-1H-吡唑和苯甲酰-1H-吡唑衍生物的混合物。值得指出的是，(2-氯苯基)(4,5-二氢-5-羟基-3,5-二甲基吡唑-1-基)甲酮和(4-碘苯基)(3,5-二甲基-1H -吡唑-1-基)甲酮是本文首次报道。所有获得的化合物均使用 IR、UV-Vis 和 NMR 进行表征，实验和理论以及熔点。实现了实验和模拟 IR、UV-Vis、1H 和 13C NMR 光谱之间的良好一致性。此外，还报告了 (4,5-二氢-5-羟基-3,5-二甲基吡唑-1-基)(4-碘苯基) 甲酮的晶体结构和 Hirshfeld 表面分析。
• Self-Assembly of a U(VI)-Containing Polytungstate Tetramer with Lewis Acid-Base Catalytic Activity for a Dehydration Condensation Reaction
  作者：Yu-Feng Liu、Ke Li、Hui-Yong Lian、Xue-Jiao Chen、Xing-Lei Zhang、Guo-Ping Yang

  DOI：10.1021/acs.inorgchem.2c02918

  日期：2022.12.19

  [K2(UO2)4Cl0.5(OH)5.5(γ-SiW10O36)4]28–. Notably, U4 could work as an effective bifunctional Lewis acid-base catalyst for the synthesis of pyrazoles via the condensation of hydrazines with 1,3-diketones under mild conditions, which is attributed to the synergetic effect of the Lewis acidity of U(VI) and the Lewis basicity of γ-SiW10}.

  新型含 U(VI) 多钨酸盐 (U-POW) 四聚体 K 1.37 Na 26.63 [K 2 (UO 2 ) 4 Cl 0.5 (OH) 5.5 (γ-SiW 10 O 36 ) 4 ]}·ca66H 2 O ( U 4 )，是使用Keggin型前体[γ-SiW 10 O 36 ] 8–和UO 2 (NO 3 ) 2合成的。4 _通过单晶 X 射线衍射、FT-IR、拉曼光谱、固态漫反射光谱、ICP-OES、ESI-MS、TGA 和 PXRD 进一步表征。中心 K 2 (UO 2 ) 4 Cl 0.5 (OH) 5.5 } 发色团由四个铀酰、四个半数 K 离子、5.5 桥接 μ 2 -OH 和无序 Cl 离子巧妙地构建，并由四个 γ-SiW 10 } 部分构建四聚体 [K 2 (UO 2 ) 4 Cl 0.5 (OH) 5.5 (γ-SiW 10 O 36 ) 4 ]28–。值得注意的是，U